Echinatine; 3'-O-(4-Hydroxy-E-cinnamoyl)
AlkaPlorer ID: AK297229
Synonym: Cynoglossamine
IUPAC Name: (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-[1-[3-(4-hydroxyphenyl)prop-2-enoyloxy]ethyl]-3-methylbutanoate
Structure
SMILES: CC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)OC(=O)C=CC1=CC=C(O)C=C1
InChI: InChI=1S/C24H31NO7/c1-15(2)24(30,16(3)32-21(28)9-6-17-4-7-19(26)8-5-17)23(29)31-14-18-10-12-25-13-11-20(27)22(18)25/h4-10,15-16,20,22,26-27,30H,11-14H2,1-3H3
InChIKey: XNECEVNOSPHNLL-UHFFFAOYSA-N
Reference
A community-driven global reconstruction of human metabolism
PubChem CID: 78410221
CAS: 120193-39-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cynoglossum creticum | Cynoglossum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 445.5120000000001
TPSA？: 116.53000000000002
MolLogP？: 1.6425999999999992
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|